3-(2-(3-Bromobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
Basic information
- CAS
769150-60-9- Standard SMILES
O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Br)c1- InChIKey
NAFPJQQHKFJYSD-BRJLIKDPSA-N- Molecular formula
- C21H13BrCl2N2O3
- Average molar mass
- 492.1 g/mol
- Monoisotopic mass
- 489.94866
Names & identifiers
- Preferred name
- 3-(2-(3-Bromobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
- IUPAC
- [3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Names & synonyms
3-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATERefChem:490409769150-60-9643-780-3AKOS024415405
Database identifiers
- CAS
769150-60-9- PubChem CID
- 9637752
- EC Number
- 643-780-3
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 606
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
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Related reactions
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Compound notes
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